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Theoretical and Computational Developments in Modern Density Functional Theory

Name: Theoretical and Computational Developments in Modern Density Functional Theory
ISBN: 9781619427792

Amlan K. Roy (ed.)

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Modern day's electronic structure theory of molecules, solids, materials, biomolecules, etc., heavily depends on the astounding success of density functional theory (DFT). Ever since its inception, the theory has come a long way. Despite the fact that there are many disconcerting open questions yet to be answered, it has made a remarkable impact towards our understanding of increasingly larger and complex systems. This book presents some of the exciting, important, latest developments that took place in DFT, of late. The main focus lies on theoretical, computational and conceptual aspects including formalism, algorithm etc., with some applications.

వర్గాలు:

Mathematics

సంవత్సరం:

2013

ప్రచురణకర్త:

Nova Science Publishers, Inc.

భాష:

english

పేజీల సంఖ్య:

598

ISBN 10:

1619427796